4-(2,2-diethoxyethyl)-3-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(2,2-diethoxyethyl)-3-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazole Openeye Name: 4-(2,2-diethoxyethyl)-3-methylsulfanyl-5-(p-tolylmethyl)-1,2,4-triazole CAS Name: 4-(2,2-diethoxyethyl)-3-[(4-methylphenyl)methyl]-5-(methylthio)-1,2,4-triazole IUPAC Name: 4-(2,2-diethoxyethyl)-3-[(4-methylphenyl)methyl]-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-(2,2-diethoxyethyl)-3-(4-methylbenzyl)-5-(methylthio)-1,2,4-triazole Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NN=C1SC)CC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC(CN1C(=NN=C1SC)CC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C17H25N3O2S/c1-5-21-16(22-6-2)12-20-15(18-19-17(20)23-4)11-14-9-7-13(3)8-10-14/h7-10,16H,5-6,11-12H2,1-4H3